Reaction classification by similarity: the influence of steric congestion

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Summary

A fast methodology for calculating steric hindrance is presented, the obtained descriptor is used in the calculation of a steric similarity index between reactions, and it is used inside the existing classification scheme to group together either reaction with similar steric demand, or reactions with both similar electronic and steric properties.

Type
article
Published
1998-05-21
Cited by
4
References
18

Keywords

Steric effects, Chemistry, Similarity (geometry), Computational chemistry, Stereochemistry

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